(1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride

C12H19BrClNO — CID 171224414

IUPAC(1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@H](N)c1cc(OC)ccc1Br.Cl
InChIInChI=1S/C12H18BrNO.ClH/c1-3-4-5-12(14)10-8-9(15-2)6-7-11(10)13;/h6-8,12H,3-5,14H2,1-2H3;1H/t12-;/m0./s1
InChIKeyGMYRXVBRPWXRGO-YDALLXLXSA-N
MW308.65 g/mol
LogP4.07
Rot. Bonds5

About (1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride

(1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride (PubChem CID 171224414) has the molecular formula C12H19BrClNO and a molecular weight of 308.65 g/mol. Its IUPAC name is (1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride
PubChem CID171224414
Molecular FormulaC12H19BrClNO
Molecular Weight308.65 g/mol
Exact Mass307.03
IUPAC Name(1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@H](N)c1cc(OC)ccc1Br.Cl
InChIInChI=1S/C12H18BrNO.ClH/c1-3-4-5-12(14)10-8-9(15-2)6-7-11(10)13;/h6-8,12H,3-5,14H2,1-2H3;1H/t12-;/m0./s1
InChIKeyGMYRXVBRPWXRGO-YDALLXLXSA-N
XLogP4.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.65
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171204828
(1S)-1-(2-bromo-5-methoxyphenyl)butane-1,4-diamine
CID 171224402
(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224399
1-(2-bromo-5-methoxyphenyl)-4-methylpentan-1-amine
CID 105126878
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764
(1S)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine
CID 130673057
(1R)-1-(2-fluoro-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171209636
1-(2-bromo-5-methoxyphenyl)-4,4,4-trifluorobutan-1-amine
CID 105156340
(1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride
CID 171233420
(1R)-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171200074
1-(2-bromo-5-methoxyphenyl)hex-4-yn-1-amine
CID 105181442
ethyl (3S)-3-amino-3-(2-bromo-5-methoxyphenyl)propanoate;hydrochloride
CID 171224445

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride (CID 171224414) is (1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride is CCCC[C@H](N)c1cc(OC)ccc1Br.Cl.
What is the InChIKey of (1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride?
The InChIKey is GMYRXVBRPWXRGO-YDALLXLXSA-N. The full InChI is InChI=1S/C12H18BrNO.ClH/c1-3-4-5-12(14)10-8-9(15-2)6-7-11(10)13;/h6-8,12H,3-5,14H2,1-2H3;1H/t12-;/m0./s1.
What are the key properties of (1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride?
(1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride has a molecular weight of 308.65 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 171224414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).